Abstract
The molecular and crystal structure of poly(vinylidene chloride) were determined by X-ray structure analysis together with conformational energy calculation. The crystals are monoclinic P21 or P21/m with cell dimensions a=6.71 Å, b (fiber axis) =4.68 Å, c=12.51 Å, and β=123°C, and there are four monomeric units (two chains) in the unit cell. The molecular conformation is a glide (TGT G) form: the internal rotation angles of two successive backbone bonds are 175°C (T) and 49°C (G′), and the C–CH2–C and C–CCl2–C bond angles are 123°C and 114°C, respectively. The deviation of the internal rotation angle from 60°C (G) to 49°C (G′) and the large C–CH2–C bond angle are ascribable to the steric hindrance between the chlorine atoms of adjacent monomeric units. From the X-ray study, the great possibility of a disorder with respect to the packing of upward and downward chains in the crystal lattice (space group P21/m) is inferred.
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Takahagi, T., Chatani, Y., Kusumoto, T. et al. Molecular and Crystal Structure of Poly(vinylidene chloride). Polym J 20, 883–893 (1988). https://doi.org/10.1295/polymj.20.883
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DOI: https://doi.org/10.1295/polymj.20.883
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